Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2 | P11137 | 3/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | TSPO | P30536 | 1/20 | 0.33 |
| ▸ | MAP2K4 | P45985 | 2/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.30 |
| ▸ | LCK | P06239 | 1/20 | 0.30 |
| ▸ | CSF1R | P07333 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8430237 | 0.90 | ESR1 (0.39) | MAP2MAP2K4CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL8430223 | 0.90 | DHODH (0.33) | TSPOMAP2K4MAPK1 | |
| SCHEMBL8430303 | 0.85 | MEN1 (0.40) | ALDH1A1HPGDSMN1; SMN2MAPK1 | |
| SCHEMBL7487942 | 0.72 | GPR17 (0.43) | PTGS2 | |
| SCHEMBL7484865 | 0.69 | GPR84 (0.36) | GPR84GSK3B | |
| SCHEMBL7479114 | 0.69 | GPR84 (0.36) | ALDH1A1GPR84GSK3BDYRK1A | |
| SCHEMBL6505678 | 0.69 | NR1H2 (0.41) | KDM4EALDH1A1 | |
| SCHEMBL7492466 | 0.67 | GPR17 (0.41) | PTGS2 | |
| SCHEMBL7487808 | 0.66 | PTGS2 (0.49) | PTGS2 | |
| SCHEMBL7482841 | 0.66 | PTGS2 (0.47) | PTGS2GSK3B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5965619-A | ADMINISTERING AN INDENE DERIVATIVE OF GIVEN FORMULA, SUCH AS 1-(2,4,6-TRIMETHOXYBENZYLIDENE)-5-DIMETHYLAMINO-2-METHYL-3-INDENYL ACETIC ACID, TO TREAT PRECANCEROUS LESIONS SUCH AS COLONIC ADENOMATOUS POLYPS; SIDE EFFECT REDUCTION | CELL PATHWAYS INC. (US) | 1999-10-12 | — | — | US | disclosed |